[(2S)-butan-2-yl]-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Openeye Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-[(1S)-1-methylpropyl]ammonium Formula: C20H31N4+ MolecularWeight: 327.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C1CCCN(CC1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

Isomeric SMILES

CC[C@H](C)[NH2+][C@H]1CCCN(CC1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

InChI

InChI=1S/C20H30N4/c1-5-15(3)21-17-7-6-11-24(12-10-17)20-22-16(4)18-9-8-14(2)13-19(18)23-20/h8-9,13,15,17,21H,5-7,10-12H2,1-4H3/p+1/t15-,17-/m0/s1